N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide

C8H10BrClN2O2S — CID 56984554

IUPACN-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Br)c(N)cc1Cl
InChIInChI=1S/C8H10BrClN2O2S/c1-2-15(13,14)12-8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyZHNJACQRIJRECV-UHFFFAOYSA-N
MW313.60 g/mol
LogP2.45
Rot. Bonds3

About N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide

N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide (PubChem CID 56984554) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide
PubChem CID56984554
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC NameN-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Br)c(N)cc1Cl
InChIInChI=1S/C8H10BrClN2O2S/c1-2-15(13,14)12-8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyZHNJACQRIJRECV-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide?
The IUPAC name of N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide (CID 56984554) is N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(Br)c(N)cc1Cl.
What is the InChIKey of N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide?
The InChIKey is ZHNJACQRIJRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-2-15(13,14)12-8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3.
What are the key properties of N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide?
N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide has a molecular weight of 313.60 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide is sourced from PubChem (CID 56984554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).